6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione

C18H14O7 — CID 78319183

IUPAC6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione
SMILESCC1(C)CC(=O)Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c21
InChIInChI=1S/C18H14O7/c1-18(2)6-11(21)24-10-5-9(20)12-14(22)7-3-4-8(19)15(23)16(7)25-17(12)13(10)18/h3-5,19-20,23H,6H2,1-2H3
InChIKeyCXLICXCFFUXQGJ-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.65
Rot. Bonds

About 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione

6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione (PubChem CID 78319183) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione.

Molecular Properties

Compound Name6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione
PubChem CID78319183
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione
SMILESCC1(C)CC(=O)Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c21
InChIInChI=1S/C18H14O7/c1-18(2)6-11(21)24-10-5-9(20)12-14(22)7-3-4-8(19)15(23)16(7)25-17(12)13(10)18/h3-5,19-20,23H,6H2,1-2H3
InChIKeyCXLICXCFFUXQGJ-UHFFFAOYSA-N
XLogP2.65
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one
CID 139081756
1,2,5-trihydroxyxanthen-9-one
CID 10060362
2-[3-(dimethylamino)phenyl]-7,8-dihydroxychromen-4-one
CID 67609078
1-fluoro-6-hydroxy-5-methylxanthen-9-one
CID 15617002
6,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one
CID 100926863
1,3,5,6-tetrahydroxy-4-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)xanthen-9-one
CID 10000814
7,8-dihydroxy-2-methyl-3-phenoxychromen-4-one
CID 5400219
4,9,9-trimethyl-8H-[1,3]oxathiolo[4,5-f]chromene-2,7-dione
CID 621994
methyl 7-hydroxy-4,4-dimethyl-2-oxo-3H-chromene-5-carboxylate
CID 125426178
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636900
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463

Frequently Asked Questions

What is the IUPAC name of 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione?
The IUPAC name of 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione (CID 78319183) is 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione.
What is the SMILES notation for 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione?
The canonical SMILES for 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione is CC1(C)CC(=O)Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c21.
What is the InChIKey of 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione?
The InChIKey is CXLICXCFFUXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-18(2)6-11(21)24-10-5-9(20)12-14(22)7-3-4-8(19)15(23)16(7)25-17(12)13(10)18/h3-5,19-20,23H,6H2,1-2H3.
What are the key properties of 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione?
6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione has a molecular weight of 342.30 g/mol, XLogP of 2.65, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione is sourced from PubChem (CID 78319183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).